[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide

C19H25N7O2 — CID 6460965

IUPAC[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
SMILESCc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N7O2/c1-15-6-4-5-7-16(15)28-13-10-26(14-20)19-22-17(24(2)3)21-18(23-19)25-8-11-27-12-9-25/h4-7H,8-13H2,1-3H3
InChIKeyKPIJMBLKONIVIJ-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.45
Rot. Bonds7

About [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide

[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide (PubChem CID 6460965) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide.

Molecular Properties

Compound Name[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
PubChem CID6460965
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
SMILESCc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N7O2/c1-15-6-4-5-7-16(15)28-13-10-26(14-20)19-22-17(24(2)3)21-18(23-19)25-8-11-27-12-9-25/h4-7H,8-13H2,1-3H3
InChIKeyKPIJMBLKONIVIJ-UHFFFAOYSA-N
XLogP1.45
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl](2-phenoxyethyl)cyanamide
CID 614541
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
CID 742235
2-(4-Cyclohexylphenoxy)-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 3236599
2-(4-Morpholinyl)-4,6-diphenoxy-1,3,5-triazine
CID 1240525
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
CID 3125344
4,6-Bis(ethylamino)-1,3,5-triazin-2-yl(2-phenoxyethyl)cyanamide
CID 828067
2,4-Di-4-morpholinyl-6-phenoxy-1,3,5-triazine
CID 970218
4-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 1086559
4-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
4-[(2-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155562918
4-[(4-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155566439
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
CID 694925

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The IUPAC name of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide (CID 6460965) is [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide.
What is the SMILES notation for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The canonical SMILES for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide is Cc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The InChIKey is KPIJMBLKONIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-15-6-4-5-7-16(15)28-13-10-26(14-20)19-22-17(24(2)3)21-18(23-19)25-8-11-27-12-9-25/h4-7H,8-13H2,1-3H3.
What are the key properties of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide has a molecular weight of 383.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide is sourced from PubChem (CID 6460965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).